4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride

C14H11Cl2FO3S — CID 103046517

IUPAC4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
SMILESCc1cc(OCc2cc(Cl)ccc2F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C14H11Cl2FO3S/c1-9-6-12(3-5-14(9)21(16,18)19)20-8-10-7-11(15)2-4-13(10)17/h2-7H,8H2,1H3
InChIKeyKICZARSFEYDTRH-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.29
Rot. Bonds4

About 4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride

4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride (PubChem CID 103046517) has the molecular formula C14H11Cl2FO3S and a molecular weight of 349.21 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
PubChem CID103046517
Molecular FormulaC14H11Cl2FO3S
Molecular Weight349.21 g/mol
Exact Mass347.98
IUPAC Name4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
SMILESCc1cc(OCc2cc(Cl)ccc2F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C14H11Cl2FO3S/c1-9-6-12(3-5-14(9)21(16,18)19)20-8-10-7-11(15)2-4-13(10)17/h2-7H,8H2,1H3
InChIKeyKICZARSFEYDTRH-UHFFFAOYSA-N
XLogP4.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 102855855
4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 60725527
4-(3-fluoropropoxy)-2-methylbenzenesulfonyl chloride
CID 81106046
2-methyl-4-(4,4,4-trifluorobutoxy)benzenesulfonyl chloride
CID 113326282
2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
CID 82917403
4-[(E)-but-2-enoxy]-2-methylbenzenesulfonyl chloride
CID 82915922
2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
CID 58022040
2-methyl-4-(2-methylbutoxy)benzenesulfonyl chloride
CID 82911652
4-chloro-2-[(3-fluoro-4-methylphenoxy)methyl]aniline
CID 107168669
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
2-methyl-4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 106722837
5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 62103692

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride (CID 103046517) is 4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride is Cc1cc(OCc2cc(Cl)ccc2F)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride?
The InChIKey is KICZARSFEYDTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO3S/c1-9-6-12(3-5-14(9)21(16,18)19)20-8-10-7-11(15)2-4-13(10)17/h2-7H,8H2,1H3.
What are the key properties of 4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride?
4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride has a molecular weight of 349.21 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 103046517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).